methyl 4-[[1-(4-piperidin-1-ylcarbonylpyridin-2-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(4-piperidin-1-ylcarbonylpyridin-2-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[4-(piperidine-1-carbonyl)-2-pyridyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[4-[oxo(1-piperidinyl)methyl]-2-pyridinyl]-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[4-(piperidine-1-carbonyl)pyridin-2-yl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[4-(piperidine-1-carbonyl)-2-pyridyl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=C3)C(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H30N4O4/c1-33-25(32)19-5-7-21(8-6-19)27-23(30)18-10-15-28(16-11-18)22-17-20(9-12-26-22)24(31)29-13-3-2-4-14-29/h5-9,12,17-18H,2-4,10-11,13-16H2,1H3,(H,27,30)